triqs_dft_tools.converters.wannier90.Wannier90Converter
- class triqs_dft_tools.converters.wannier90.Wannier90Converter(seedname, hdf_filename=None, dft_subgrp='dft_input', symmcorr_subgrp='dft_symmcorr_input', misc_subgrp='dft_misc_input', repacking=False, rot_mat_type='hloc_diag', bloch_basis=False, add_lambda=None, w90zero=2e-06, reorder_orbital_and_spin_vasp5=False)[source]
Conversion from Wannier90 output to an hdf5 file that can be used as input for the SumkDFT class.
Methods
Reads the appropriate files and stores the data for the
det_shell_equivalence(corr_shells)Determine the equivalence of correlated shells.
read_fortran_file(filename, to_replace)Returns a generator that yields all numbers in the Fortran file as float, with possible replacements.
repack()Calls the h5repack routine in order to reduce the file size of the hdf5 archive.
Methods
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Initialise the class. |
Reads the appropriate files and stores the data for the |
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Determine the equivalence of correlated shells. |
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Returns a generator that yields all numbers in the Fortran file as float, with possible replacements. |
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Calls the h5repack routine in order to reduce the file size of the hdf5 archive. |